COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.893   4.434  -0.653  1.00  0.00           C  
HETATM    2  C   UNL     1       8.399   2.590  -0.547  1.00  0.00           C  
HETATM    3  C   UNL     1       6.960   0.689  -0.373  1.00  0.00           C  
HETATM    4  C   UNL     1       7.787   0.217   0.637  1.00  0.00           C  
HETATM    5  C   UNL     1       8.887   0.963   1.014  1.00  0.00           C  
HETATM    6  C   UNL     1       6.188  -1.220  -1.754  1.00  0.00           C  
HETATM    7  C   UNL     1       3.781  -0.976   0.323  1.00  0.00           C  
HETATM    8  C   UNL     1       3.105  -1.571   1.531  1.00  0.00           C  
HETATM    9  C   UNL     1       3.226  -0.604   2.711  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.426  -2.843   0.893  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.746  -3.125   0.387  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.867  -1.754   0.158  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.758  -0.925   0.289  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.529  -1.469   0.661  1.00  0.00           C  
HETATM   15  C   UNL     1       0.798  -0.862   0.881  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.177  -1.182  -0.237  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.341   2.391  -0.098  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.619   4.519  -0.354  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.247   3.919  -0.036  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.266  -1.333  -1.390  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.054  -1.909  -1.048  1.00  0.00           C  
HETATM   22  O   UNL     1       8.720   3.772  -1.131  1.00  0.00           O  
HETATM   23  C   UNL     1       7.274   1.896  -0.973  1.00  0.00           C  
HETATM   24  N   UNL     1       9.163   2.108   0.419  1.00  0.00           N  
HETATM   25  CA  UNL     1       5.752  -0.098  -0.810  1.00  0.00           C  
HETATM   26  O   UNL     1       7.187  -2.018  -1.116  1.00  0.00           O  
HETATM   27  N   UNL     1       5.094  -0.676   0.365  1.00  0.00           N  
HETATM   28  O   UNL     1       3.143  -0.767  -0.688  1.00  0.00           O  
HETATM   29  N   UNL     1       1.689  -1.804   1.233  1.00  0.00           N  
HETATM   30  C   UNL     1       1.011  -3.105   1.271  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.525  -3.660   0.753  1.00  0.00           C  
HETATM   32  O   UNL     1       1.050   0.322   0.761  1.00  0.00           O  
HETATM   33  N   UNL     1      -4.538   0.030   0.179  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.707   0.542  -0.172  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.052   1.806   0.279  1.00  0.00           N  
HETATM   36  C   UNL     1      -8.424   1.914   0.874  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.750   2.592   0.521  1.00  0.00           C  
HETATM   38  O   UNL     1      -9.586   4.011   0.570  1.00  0.00           O  
HETATM   39  N   UNL     1      -6.556  -0.122  -0.943  1.00  0.00           N  
HETATM   40 CL   UNL     1      -4.633  -3.496  -1.612  1.00  0.00          Cl  
HETATM   41  H   UNL     1       9.778   4.654   0.408  1.00  0.00           H  
HETATM   42  H   UNL     1      10.759   3.790  -0.799  1.00  0.00           H  
HETATM   43  H   UNL     1      10.035   5.365  -1.203  1.00  0.00           H  
HETATM   44  H   UNL     1       7.571  -0.721   1.126  1.00  0.00           H  
HETATM   45  H   UNL     1       9.533   0.600   1.799  1.00  0.00           H  
HETATM   46  H1  UNL     1       5.328  -1.843  -2.000  1.00  0.00           H  
HETATM   47  H2  UNL     1       6.597  -0.788  -2.668  1.00  0.00           H  
HETATM   48  H   UNL     1       3.583  -2.517   1.786  1.00  0.00           H  
HETATM   49  H   UNL     1       2.737  -1.035   3.585  1.00  0.00           H  
HETATM   50  H   UNL     1       4.279  -0.431   2.932  1.00  0.00           H  
HETATM   51  H   UNL     1       2.748   0.341   2.456  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.606  -3.768   0.278  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.850   0.136   0.113  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.599   2.083  -1.111  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.569   5.605  -0.269  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.908   4.247  -1.369  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.939   4.224   0.964  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.518   4.269  -0.766  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.967  -1.867  -2.014  1.00  0.00           H  
HETATM   60  H   UNL     1       6.652   2.293  -1.762  1.00  0.00           H  
HETATM   61  HA  UNL     1       5.056   0.562  -1.327  1.00  0.00           H  
HETATM   62  H   UNL     1       7.511  -2.750  -1.658  1.00  0.00           H  
HETATM   63  H   UNL     1       5.604  -0.844   1.173  1.00  0.00           H  
HETATM   64  H   UNL     1       1.064  -3.526   2.274  1.00  0.00           H  
HETATM   65  H   UNL     1       1.469  -3.786   0.553  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.433  -4.722   0.929  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.440   2.303   0.844  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.535   0.833   0.795  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.140   2.177   1.893  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.054   2.296  -0.483  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.515   2.290   1.236  1.00  0.00           H  
CONECT    1   22   41   42   43                                       
CONECT    2   22   23   23   24                                       
CONECT    3   23   25    4    4                                       
CONECT    4    3    3    5   44                                       
CONECT    5   24   24    4   45                                       
CONECT    6   26   25   46   47                                       
CONECT    7    8   27   28   28                                       
CONECT    8    9   29    7   48                                       
CONECT    9    8   49   50   51                                       
CONECT   10   14   14   31   30                                       
CONECT   11   12   31   31   52                                       
CONECT   12   16   13   13   11                                       
CONECT   13   12   12   14   53                                       
CONECT   14   13   15   10   10                                       
CONECT   15   14   32   32   29                                       
CONECT   16   33   12   21   21                                       
CONECT   17   19   36   35   54                                       
CONECT   18   38   19   55   56                                       
CONECT   19   18   17   57   58                                       
CONECT   20   39   39   21   59                                       
CONECT   21   16   16   20   40                                       
CONECT   22    1    2                                                 
CONECT   23    2    2    3   60                                       
CONECT   24    2    5    5                                            
CONECT   25   27    6    3   61                                       
CONECT   26    6   62                                                 
CONECT   27    7   25   63                                            
CONECT   28    7    7                                                 
CONECT   29   15   30    8                                            
CONECT   30   10   29   64   65                                       
CONECT   31   11   11   10   66                                       
CONECT   32   15   15                                                 
CONECT   33   34   34   16                                            
CONECT   34   35   33   33   39                                       
CONECT   35   17   34   67                                            
CONECT   36   37   17   68   69                                       
CONECT   37   38   36   70   71                                       
CONECT   38   18   37                                                 
CONECT   39   34   20   20                                            
CONECT   40   21                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
